(5,7-dimethoxyquinolin-4-yl) 4-methoxybenzoate

C19H17NO5 — CID 45482513

IUPAC(5,7-dimethoxyquinolin-4-yl) 4-methoxybenzoate
SMILESCOc1ccc(C(=O)Oc2ccnc3cc(OC)cc(OC)c23)cc1
InChIInChI=1S/C19H17NO5/c1-22-13-6-4-12(5-7-13)19(21)25-16-8-9-20-15-10-14(23-2)11-17(24-3)18(15)16/h4-11H,1-3H3
InChIKeyVKAFYFWYKPCSQK-UHFFFAOYSA-N
MW339.35 g/mol
LogP3.48
Rot. Bonds5

About (5,7-dimethoxyquinolin-4-yl) 4-methoxybenzoate

(5,7-dimethoxyquinolin-4-yl) 4-methoxybenzoate (PubChem CID 45482513) has the molecular formula C19H17NO5 and a molecular weight of 339.35 g/mol. Its IUPAC name is (5,7-dimethoxyquinolin-4-yl) 4-methoxybenzoate.

Molecular Properties

Compound Name(5,7-dimethoxyquinolin-4-yl) 4-methoxybenzoate
PubChem CID45482513
Molecular FormulaC19H17NO5
Molecular Weight339.35 g/mol
Exact Mass339.11
IUPAC Name(5,7-dimethoxyquinolin-4-yl) 4-methoxybenzoate
SMILESCOc1ccc(C(=O)Oc2ccnc3cc(OC)cc(OC)c23)cc1
InChIInChI=1S/C19H17NO5/c1-22-13-6-4-12(5-7-13)19(21)25-16-8-9-20-15-10-14(23-2)11-17(24-3)18(15)16/h4-11H,1-3H3
InChIKeyVKAFYFWYKPCSQK-UHFFFAOYSA-N
XLogP3.48
TPSA66.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5,7-dimethoxyquinolin-4-yl) 4-methoxybenzoate?
The IUPAC name of (5,7-dimethoxyquinolin-4-yl) 4-methoxybenzoate (CID 45482513) is (5,7-dimethoxyquinolin-4-yl) 4-methoxybenzoate.
What is the SMILES notation for (5,7-dimethoxyquinolin-4-yl) 4-methoxybenzoate?
The canonical SMILES for (5,7-dimethoxyquinolin-4-yl) 4-methoxybenzoate is COc1ccc(C(=O)Oc2ccnc3cc(OC)cc(OC)c23)cc1.
What is the InChIKey of (5,7-dimethoxyquinolin-4-yl) 4-methoxybenzoate?
The InChIKey is VKAFYFWYKPCSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5/c1-22-13-6-4-12(5-7-13)19(21)25-16-8-9-20-15-10-14(23-2)11-17(24-3)18(15)16/h4-11H,1-3H3.
What are the key properties of (5,7-dimethoxyquinolin-4-yl) 4-methoxybenzoate?
(5,7-dimethoxyquinolin-4-yl) 4-methoxybenzoate has a molecular weight of 339.35 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-dimethoxyquinolin-4-yl) 4-methoxybenzoate is sourced from PubChem (CID 45482513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).